REMARK  Name = BDB014426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.856   2.237  -3.622  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.301   2.749  -2.512  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.004   3.091  -2.814  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -0.417   3.919  -2.403  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.840   1.747  -2.971  0.00  0.00    -0.272 OA
BRANCH   2   6
ATOM      6  C   LIG    1        1.995   3.732  -1.559  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.034   3.191  -0.761  0.00  0.00    -0.483 OA
BRANCH   7  10
ATOM      8  C   LIG    1        3.610   1.051   2.114  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        3.786   1.904   1.020  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        2.695   2.388   0.293  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        1.408   2.024   0.682  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        1.223   1.176   1.780  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        2.321   0.687   2.493  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.662  -0.370   3.696  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        4.766   0.660   2.726  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   7  10
ENDBRANCH   6   7
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.779   1.326  -2.787  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.817   0.848  -3.657  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -2.421   0.199  -4.264  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.019   0.139  -2.135  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.682  -0.460  -0.951  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -0.794  -1.496  -0.376  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -1.404  -2.240   0.791  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -2.799  -2.296   0.957  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -3.346  -3.019   2.025  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -2.515  -3.709   2.906  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.132  -3.674   2.731  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.697  -1.516   0.034  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -0.579  -2.945   1.678  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.992  -1.056  -1.253  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 9